Year |
Citation |
Score |
2008 |
Fisher DR, Kent DR, Feldmann MT, Goddard WA. An optimized initialization algorithm to ensure accuracy in quantum Monte Carlo calculations. Journal of Computational Chemistry. 29: 2335-43. PMID 18473326 DOI: 10.1002/Jcc.20965 |
0.314 |
|
2007 |
Kent DR, Muller RP, Anderson AG, Goddard WA, Feldmann MT. Efficient algorithm for "on-the-fly" error analysis of local or distributed serially correlated data. Journal of Computational Chemistry. 28: 2309-16. PMID 17476669 DOI: 10.1002/Jcc.20746 |
0.3 |
|
2005 |
Rudner MS, Kent DR, Goddard WA, Roberts JD. Intramolecular hydrogen bonding in disubstituted ethanes: general considerations and methodology in quantum mechanical calculations of the conformational equilibria of succinamate monoanion. The Journal of Physical Chemistry. A. 109: 9083-8. PMID 16332015 DOI: 10.1021/Jp052953V |
0.317 |
|
2005 |
Feldmann MT, Widicus SL, Blake GA, Kent DR, Goddard WA. Aminomethanol water elimination: theoretical examination. The Journal of Chemical Physics. 123: 34304. PMID 16080734 DOI: 10.1063/1.1935510 |
0.304 |
|
2003 |
Casanova J, Kent DR, Goddard WA, Roberts JD. Quantum-mechanical calculations of the stabilities of fluxional isomers of C4H(7)(+) in solution. Proceedings of the National Academy of Sciences of the United States of America. 100: 15-9. PMID 12509513 DOI: 10.1073/Pnas.0136820100 |
0.32 |
|
2002 |
Kent DR, Dey N, Davidson F, Gregoire F, Petterson KA, Goddard WA, Roberts JD. An NMR and quantum mechanical investigation of solvent effects on conformational equilibria of butanedinitrile. Journal of the American Chemical Society. 124: 9318-22. PMID 12149040 DOI: 10.1021/Ja020535N |
0.324 |
|
2002 |
Kent DR, Petterson KA, Gregoire F, Snyder-Frey E, Hanely LJ, Muller RP, Goddard WA, Roberts JD. An NMR and quantum-mechanical investigation of tetrahydrofuran solvent effects on the conformational equilibria of 1,4-butanedioic acid and its salts. Journal of the American Chemical Society. 124: 4481-6. PMID 11960478 DOI: 10.1021/Ja012016A |
0.339 |
|
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